X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.0 295 0.1M sodium citrate tribasic dehydrate pH 5.0, 18% (v/v) Jeffamine ED-2001 pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Unit Cell:
a: 46.910 Å b: 71.376 Å c: 117.727 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.00 Solvent Content: 38.59
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION SAD THROUGHOUT 1.7000 45.4500 39869 2121 94.7400 0.2000 0.2415 30.4758
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
1.700 50.000 94.700 0.065 ? 11.400 8.100 ? 42035 ? ? ?
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 1.700 1.760 67.000 ? ? ? 2.900 2901
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON PAL/PLS BEAMLINE 4A 1.0000 PAL/PLS 4A
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
REFMAC refinement 5.7.0029
PDB_EXTRACT data extraction 3.11
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHENIX phasing .
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